Geometry & MOs

Info

ID:	227387
PubChem CID:	87561611
Reduced:	NH12C17F17 (1)
Stoich.:	AB12C17D17 (1)
Weight, g/mol:	340.065493
ΔH_f, kcal/mol:	-812.28
Dipole, Da:	2.56
IP(EA), eV:	-9.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyren-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C(C(C(C(C(C(C(C(C(F)F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)N

DOS

IR

Vibrations